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<a href="container__prd_8cc.html">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">// Voro++, a 3D cell-based Voronoi library</span>
<a name="l00002"></a>00002 <span class="comment">//</span>
<a name="l00003"></a>00003 <span class="comment">// Author   : Chris H. Rycroft (LBL / UC Berkeley)</span>
<a name="l00004"></a>00004 <span class="comment">// Email    : chr@alum.mit.edu</span>
<a name="l00005"></a>00005 <span class="comment">// Date     : August 30th 2011</span>
<a name="l00006"></a>00006 <span class="comment"></span>
<a name="l00007"></a>00007 <span class="comment">/** \file container_prd.cc</span>
<a name="l00008"></a>00008 <span class="comment"> * \brief Function implementations for the container_periodic_base and</span>
<a name="l00009"></a>00009 <span class="comment"> * related classes. */</span>
<a name="l00010"></a>00010 
<a name="l00011"></a>00011 <span class="preprocessor">#include &quot;<a class="code" href="container__prd_8hh.html" title="Header file for the container_periodic_base and related classes.">container_prd.hh</a>&quot;</span>
<a name="l00012"></a>00012 
<a name="l00013"></a>00013 <span class="keyword">namespace </span>voro {
<a name="l00014"></a>00014 <span class="comment"></span>
<a name="l00015"></a>00015 <span class="comment">/** The class constructor sets up the geometry of container, initializing the</span>
<a name="l00016"></a>00016 <span class="comment"> * minimum and maximum coordinates in each direction, and setting whether each</span>
<a name="l00017"></a>00017 <span class="comment"> * direction is periodic or not. It divides the container into a rectangular</span>
<a name="l00018"></a>00018 <span class="comment"> * grid of blocks, and allocates memory for each of these for storing particle</span>
<a name="l00019"></a>00019 <span class="comment"> * positions and IDs.</span>
<a name="l00020"></a>00020 <span class="comment"> * \param[in] (bx_) The x coordinate of the first unit vector.</span>
<a name="l00021"></a>00021 <span class="comment"> * \param[in] (bxy_,by_) The x and y coordinates of the second unit vector.</span>
<a name="l00022"></a>00022 <span class="comment"> * \param[in] (bxz_,byz_,bz_) The x, y, and z coordinates of the third unit</span>
<a name="l00023"></a>00023 <span class="comment"> *                            vector.</span>
<a name="l00024"></a>00024 <span class="comment"> * \param[in] (nx_,ny_,nz_) the number of grid blocks in each of the three</span>
<a name="l00025"></a>00025 <span class="comment"> *                       coordinate directions.</span>
<a name="l00026"></a>00026 <span class="comment"> * \param[in] init_mem_ the initial memory allocation for each block.</span>
<a name="l00027"></a>00027 <span class="comment"> * \param[in] ps_ the number of floating point entries to store for each</span>
<a name="l00028"></a>00028 <span class="comment"> *                particle. */</span>
<a name="l00029"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a5319c976a873f9b10f80f9038f3460bd">00029</a> <a class="code" href="classvoro_1_1container__periodic__base.html#a5319c976a873f9b10f80f9038f3460bd">container_periodic_base::container_periodic_base</a>(<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> bxy_,<span class="keywordtype">double</span> by_,
<a name="l00030"></a>00030                 <span class="keywordtype">double</span> bxz_,<span class="keywordtype">double</span> byz_,<span class="keywordtype">double</span> bz_,<span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">int</span> init_mem_,<span class="keywordtype">int</span> ps_)
<a name="l00031"></a>00031         : <a class="code" href="classvoro_1_1unitcell.html" title="Class for computation of the unit Voronoi cell associated with a 3D non-rectangular periodic domain...">unitcell</a>(bx_,bxy_,by_,bxz_,byz_,bz_), <a class="code" href="classvoro_1_1voro__base.html" title="Class containing data structures common across all particle container classes.">voro_base</a>(nx_,ny_,nz_,bx_/nx_,by_/ny_,bz_/nz_),
<a name="l00032"></a>00032         ey(int(max_uv_y*ysp+1)), ez(int(max_uv_z*zsp+1)), wy(ny+ey), wz(nz+ez),
<a name="l00033"></a>00033         oy(ny+2*ey), oz(nz+2*ez), oxyz(nx*oy*oz), id(new int*[oxyz]), p(new double*[oxyz]),
<a name="l00034"></a>00034         co(new int[oxyz]), mem(new int[oxyz]), img(new char[oxyz]), init_mem(init_mem_), ps(ps_) {
<a name="l00035"></a>00035         <span class="keywordtype">int</span> i,j,k,l;
<a name="l00036"></a>00036 
<a name="l00037"></a>00037         <span class="comment">// Clear the global arrays</span>
<a name="l00038"></a>00038         <span class="keywordtype">int</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;<span class="keywordflow">while</span>(pp&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>) *(pp++)=0;
<a name="l00039"></a>00039         pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>;<span class="keywordflow">while</span>(pp&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>) *(pp++)=0;
<a name="l00040"></a>00040         <span class="keywordtype">char</span> *cp=<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>;<span class="keywordflow">while</span>(cp&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#ae1dfc876e56ec254053c7672b4454313">oxyz</a>) *(cp++)=0;
<a name="l00041"></a>00041 
<a name="l00042"></a>00042         <span class="comment">// Set up memory for the blocks in the primary domain</span>
<a name="l00043"></a>00043         <span class="keywordflow">for</span>(k=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;k&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#afe16d21568925f78421122cdfb7b0cc0">wz</a>;k++) <span class="keywordflow">for</span>(j=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;j&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a012ffc20dd6379bcbd26ddc0c5cc8591">wy</a>;j++) <span class="keywordflow">for</span>(i=0;i&lt;<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;i++) {
<a name="l00044"></a>00044                 l=i+nx*(j+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*k);
<a name="l00045"></a>00045                 <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[l]=<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>;
<a name="l00046"></a>00046                 <span class="keywordtype">id</span>[l]=<span class="keyword">new</span> <span class="keywordtype">int</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];
<a name="l00047"></a>00047                 <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[l]=<span class="keyword">new</span> <span class="keywordtype">double</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];
<a name="l00048"></a>00048         }
<a name="l00049"></a>00049 }
<a name="l00050"></a>00050 <span class="comment"></span>
<a name="l00051"></a>00051 <span class="comment">/** The container destructor frees the dynamically allocated memory. */</span>
<a name="l00052"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a4eacfa1389d290c753df07df3c88e0a7">00052</a> <a class="code" href="classvoro_1_1container__periodic__base.html#a4eacfa1389d290c753df07df3c88e0a7">container_periodic_base::~container_periodic_base</a>() {
<a name="l00053"></a>00053         <span class="keywordtype">int</span> l;
<a name="l00054"></a>00054         <span class="keywordflow">for</span>(l=0;l&lt;oxyz;l++) if(mem[l]&gt;0) <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[l];
<a name="l00055"></a>00055         <span class="keywordflow">for</span>(l=0;l&lt;oxyz;l++) if(mem[l]&gt;0) <span class="keyword">delete</span> [] <span class="keywordtype">id</span>[l];
<a name="l00056"></a>00056         <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>;
<a name="l00057"></a>00057         <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a5abecf243780e08dd6cce6f5dd270c76">id</a>;
<a name="l00058"></a>00058         <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>;
<a name="l00059"></a>00059         <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;
<a name="l00060"></a>00060 }
<a name="l00061"></a>00061 <span class="comment"></span>
<a name="l00062"></a>00062 <span class="comment">/** The class constructor sets up the geometry of container.</span>
<a name="l00063"></a>00063 <span class="comment"> * \param[in] (bx_) The x coordinate of the first unit vector.</span>
<a name="l00064"></a>00064 <span class="comment"> * \param[in] (bxy_,by_) The x and y coordinates of the second unit vector.</span>
<a name="l00065"></a>00065 <span class="comment"> * \param[in] (bxz_,byz_,bz_) The x, y, and z coordinates of the third unit</span>
<a name="l00066"></a>00066 <span class="comment"> *                            vector.</span>
<a name="l00067"></a>00067 <span class="comment"> * \param[in] (nx_,ny_,nz_) the number of grid blocks in each of the three</span>
<a name="l00068"></a>00068 <span class="comment"> *                          coordinate directions.</span>
<a name="l00069"></a>00069 <span class="comment"> * \param[in] init_mem_ the initial memory allocation for each block. */</span>
<a name="l00070"></a><a class="code" href="classvoro_1_1container__periodic.html#ace68f8fc6073edb7dd41c30761f899fd">00070</a> <a class="code" href="classvoro_1_1container__periodic.html#ace68f8fc6073edb7dd41c30761f899fd">container_periodic::container_periodic</a>(<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> bxy_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> bxz_,<span class="keywordtype">double</span> byz_,<span class="keywordtype">double</span> bz_,
<a name="l00071"></a>00071         <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">int</span> init_mem_)
<a name="l00072"></a>00072         : <a class="code" href="classvoro_1_1container__periodic__base.html" title="Class for representing a particle system in a 3D periodic non-orthogonal periodic domain...">container_periodic_base</a>(bx_,bxy_,by_,bxz_,byz_,bz_,nx_,ny_,nz_,init_mem_,3),
<a name="l00073"></a>00073         vc(*this,2*nx_+1,2*ey+1,2*ez+1) {}
<a name="l00074"></a>00074 <span class="comment"></span>
<a name="l00075"></a>00075 <span class="comment">/** The class constructor sets up the geometry of container.</span>
<a name="l00076"></a>00076 <span class="comment"> * \param[in] (bx_) The x coordinate of the first unit vector.</span>
<a name="l00077"></a>00077 <span class="comment"> * \param[in] (bxy_,by_) The x and y coordinates of the second unit vector.</span>
<a name="l00078"></a>00078 <span class="comment"> * \param[in] (bxz_,byz_,bz_) The x, y, and z coordinates of the third unit</span>
<a name="l00079"></a>00079 <span class="comment"> *                            vector.</span>
<a name="l00080"></a>00080 <span class="comment"> * \param[in] (nx_,ny_,nz_) the number of grid blocks in each of the three</span>
<a name="l00081"></a>00081 <span class="comment"> *                          coordinate directions.</span>
<a name="l00082"></a>00082 <span class="comment"> * \param[in] init_mem_ the initial memory allocation for each block. */</span>
<a name="l00083"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#adc3616c10fe7b40795951b5cd8dc8c74">00083</a> <a class="code" href="classvoro_1_1container__periodic__poly.html#adc3616c10fe7b40795951b5cd8dc8c74">container_periodic_poly::container_periodic_poly</a>(<span class="keywordtype">double</span> bx_,<span class="keywordtype">double</span> bxy_,<span class="keywordtype">double</span> by_,<span class="keywordtype">double</span> bxz_,<span class="keywordtype">double</span> byz_,<span class="keywordtype">double</span> bz_,
<a name="l00084"></a>00084         <span class="keywordtype">int</span> nx_,<span class="keywordtype">int</span> ny_,<span class="keywordtype">int</span> nz_,<span class="keywordtype">int</span> init_mem_)
<a name="l00085"></a>00085         : <a class="code" href="classvoro_1_1container__periodic__base.html" title="Class for representing a particle system in a 3D periodic non-orthogonal periodic domain...">container_periodic_base</a>(bx_,bxy_,by_,bxz_,byz_,bz_,nx_,ny_,nz_,init_mem_,4),
<a name="l00086"></a>00086         vc(*this,2*nx_+1,2*ey+1,2*ez+1) {<a class="code" href="classvoro_1_1radius__poly.html#a9e40455c336c27b089c5a78ca94626d8">ppr</a>=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>;}
<a name="l00087"></a>00087 <span class="comment"></span>
<a name="l00088"></a>00088 <span class="comment">/** Put a particle into the correct region of the container.</span>
<a name="l00089"></a>00089 <span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span>
<a name="l00090"></a>00090 <span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle. */</span>
<a name="l00091"></a><a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">00091</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">container_periodic::put</a>(<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z) {
<a name="l00092"></a>00092         <span class="keywordtype">int</span> ijk;
<a name="l00093"></a>00093         <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);
<a name="l00094"></a>00094         <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;
<a name="l00095"></a>00095         <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+3*co[ijk]++;
<a name="l00096"></a>00096         *(pp++)=x;*(pp++)=y;*pp=z;
<a name="l00097"></a>00097 }
<a name="l00098"></a>00098 <span class="comment"></span>
<a name="l00099"></a>00099 <span class="comment">/** Put a particle into the correct region of the container.</span>
<a name="l00100"></a>00100 <span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span>
<a name="l00101"></a>00101 <span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span>
<a name="l00102"></a>00102 <span class="comment"> * \param[in] r the radius of the particle. */</span>
<a name="l00103"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">00103</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">container_periodic_poly::put</a>(<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> r) {
<a name="l00104"></a>00104         <span class="keywordtype">int</span> ijk;
<a name="l00105"></a>00105         <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);
<a name="l00106"></a>00106         <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;
<a name="l00107"></a>00107         <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+4*co[ijk]++;
<a name="l00108"></a>00108         *(pp++)=x;*(pp++)=y;*(pp++)=z;*pp=r;
<a name="l00109"></a>00109         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>&lt;r) <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=r;
<a name="l00110"></a>00110 }
<a name="l00111"></a>00111 <span class="comment"></span>
<a name="l00112"></a>00112 <span class="comment">/** Put a particle into the correct region of the container.</span>
<a name="l00113"></a>00113 <span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span>
<a name="l00114"></a>00114 <span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span>
<a name="l00115"></a>00115 <span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the particle is</span>
<a name="l00116"></a>00116 <span class="comment"> *                        in, with (0,0,0) corresponding to the primary domain.</span>
<a name="l00117"></a>00117 <span class="comment"> */</span>
<a name="l00118"></a><a class="code" href="classvoro_1_1container__periodic.html#a354f707360a7e51a56de2eafc10cb43f">00118</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">container_periodic::put</a>(<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak) {
<a name="l00119"></a>00119         <span class="keywordtype">int</span> ijk;
<a name="l00120"></a>00120         <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z,ai,aj,ak);
<a name="l00121"></a>00121         <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;
<a name="l00122"></a>00122         <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+3*co[ijk]++;
<a name="l00123"></a>00123         *(pp++)=x;*(pp++)=y;*pp=z;
<a name="l00124"></a>00124 }
<a name="l00125"></a>00125 <span class="comment"></span>
<a name="l00126"></a>00126 <span class="comment">/** Put a particle into the correct region of the container.</span>
<a name="l00127"></a>00127 <span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span>
<a name="l00128"></a>00128 <span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span>
<a name="l00129"></a>00129 <span class="comment"> * \param[in] r the radius of the particle.</span>
<a name="l00130"></a>00130 <span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the particle is</span>
<a name="l00131"></a>00131 <span class="comment"> *                        in, with (0,0,0) corresponding to the primary domain.</span>
<a name="l00132"></a>00132 <span class="comment"> */</span>
<a name="l00133"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#a4bc65fd86de5d00d3de49553aec76022">00133</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">container_periodic_poly::put</a>(<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> r,<span class="keywordtype">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak) {
<a name="l00134"></a>00134         <span class="keywordtype">int</span> ijk;
<a name="l00135"></a>00135         <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z,ai,aj,ak);
<a name="l00136"></a>00136         <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;
<a name="l00137"></a>00137         <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+4*co[ijk]++;
<a name="l00138"></a>00138         *(pp++)=x;*(pp++)=y;*(pp++)=z;*pp=r;
<a name="l00139"></a>00139         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>&lt;r) <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=r;
<a name="l00140"></a>00140 }
<a name="l00141"></a>00141 <span class="comment"></span>
<a name="l00142"></a>00142 <span class="comment">/** Put a particle into the correct region of the container, also recording</span>
<a name="l00143"></a>00143 <span class="comment"> * into which region it was stored.</span>
<a name="l00144"></a>00144 <span class="comment"> * \param[in] vo the ordering class in which to record the region.</span>
<a name="l00145"></a>00145 <span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span>
<a name="l00146"></a>00146 <span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle. */</span>
<a name="l00147"></a><a class="code" href="classvoro_1_1container__periodic.html#ad3987d5710d793bdd604f12eeaa326f0">00147</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">container_periodic::put</a>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z) {
<a name="l00148"></a>00148         <span class="keywordtype">int</span> ijk;
<a name="l00149"></a>00149         <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);
<a name="l00150"></a>00150         <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;
<a name="l00151"></a>00151         vo.<a class="code" href="classvoro_1_1particle__order.html#adabcf6cd995eb03fe007844ba5637a8a">add</a>(ijk,co[ijk]);
<a name="l00152"></a>00152         <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+3*co[ijk]++;
<a name="l00153"></a>00153         *(pp++)=x;*(pp++)=y;*pp=z;
<a name="l00154"></a>00154 }
<a name="l00155"></a>00155 <span class="comment"></span>
<a name="l00156"></a>00156 <span class="comment">/** Put a particle into the correct region of the container, also recording</span>
<a name="l00157"></a>00157 <span class="comment"> * into which region it was stored.</span>
<a name="l00158"></a>00158 <span class="comment"> * \param[in] vo the ordering class in which to record the region.</span>
<a name="l00159"></a>00159 <span class="comment"> * \param[in] n the numerical ID of the inserted particle.</span>
<a name="l00160"></a>00160 <span class="comment"> * \param[in] (x,y,z) the position vector of the inserted particle.</span>
<a name="l00161"></a>00161 <span class="comment"> * \param[in] r the radius of the particle. */</span>
<a name="l00162"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#a2b0a71bfb4fb576df45d8a4bcbc888cd">00162</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">container_periodic_poly::put</a>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,<span class="keywordtype">int</span> n,<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> r) {
<a name="l00163"></a>00163         <span class="keywordtype">int</span> ijk;
<a name="l00164"></a>00164         <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">put_locate_block</a>(ijk,x,y,z);
<a name="l00165"></a>00165         <span class="keywordtype">id</span>[ijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]]=n;
<a name="l00166"></a>00166         vo.<a class="code" href="classvoro_1_1particle__order.html#adabcf6cd995eb03fe007844ba5637a8a">add</a>(ijk,co[ijk]);
<a name="l00167"></a>00167         <span class="keywordtype">double</span> *pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[ijk]+4*co[ijk]++;
<a name="l00168"></a>00168         *(pp++)=x;*(pp++)=y;*(pp++)=z;*pp=r;
<a name="l00169"></a>00169         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>&lt;r) <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=r;
<a name="l00170"></a>00170 }
<a name="l00171"></a>00171 <span class="comment"></span>
<a name="l00172"></a>00172 <span class="comment">/** Takes a particle position vector and computes the region index into which</span>
<a name="l00173"></a>00173 <span class="comment"> * it should be stored. If the container is periodic, then the routine also</span>
<a name="l00174"></a>00174 <span class="comment"> * maps the particle position to ensure it is in the primary domain. If the</span>
<a name="l00175"></a>00175 <span class="comment"> * container is not periodic, the routine bails out.</span>
<a name="l00176"></a>00176 <span class="comment"> * \param[out] ijk the region index.</span>
<a name="l00177"></a>00177 <span class="comment"> * \param[in,out] (x,y,z) the particle position, remapped into the primary</span>
<a name="l00178"></a>00178 <span class="comment"> *                        domain if necessary.</span>
<a name="l00179"></a>00179 <span class="comment"> * \return True if the particle can be successfully placed into the container,</span>
<a name="l00180"></a>00180 <span class="comment"> * false otherwise. */</span>
<a name="l00181"></a><a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">00181</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">container_periodic_base::put_locate_block</a>(<span class="keywordtype">int</span> &amp;ijk,<span class="keywordtype">double</span> &amp;x,<span class="keywordtype">double</span> &amp;y,<span class="keywordtype">double</span> &amp;z) {
<a name="l00182"></a>00182 
<a name="l00183"></a>00183         <span class="comment">// Remap particle in the z direction if necessary</span>
<a name="l00184"></a>00184         <span class="keywordtype">int</span> k=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(z*<a class="code" href="classvoro_1_1voro__base.html#ac51553412117b42816210e54805ad278">zsp</a>);
<a name="l00185"></a>00185         <span class="keywordflow">if</span>(k&lt;0||k&gt;=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>) {
<a name="l00186"></a>00186                 <span class="keywordtype">int</span> ak=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(k,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);
<a name="l00187"></a>00187                 z-=ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;y-=ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>;x-=ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>;k-=ak*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;
<a name="l00188"></a>00188         }
<a name="l00189"></a>00189 
<a name="l00190"></a>00190         <span class="comment">// Remap particle in the y direction if necessary</span>
<a name="l00191"></a>00191         <span class="keywordtype">int</span> j=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(y*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>);
<a name="l00192"></a>00192         <span class="keywordflow">if</span>(j&lt;0||j&gt;=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>) {
<a name="l00193"></a>00193                 <span class="keywordtype">int</span> aj=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(j,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);
<a name="l00194"></a>00194                 y-=aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;x-=aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>;j-=aj*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;
<a name="l00195"></a>00195         }
<a name="l00196"></a>00196 
<a name="l00197"></a>00197         <span class="comment">// Remap particle in the x direction if necessary</span>
<a name="l00198"></a>00198         ijk=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(x*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>);
<a name="l00199"></a>00199         <span class="keywordflow">if</span>(ijk&lt;0||ijk&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) {
<a name="l00200"></a>00200                 <span class="keywordtype">int</span> ai=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ijk,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);
<a name="l00201"></a>00201                 x-=ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;ijk-=ai*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;
<a name="l00202"></a>00202         }
<a name="l00203"></a>00203 
<a name="l00204"></a>00204         <span class="comment">// Compute the block index and check memory allocation</span>
<a name="l00205"></a>00205         j+=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;k+=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;
<a name="l00206"></a>00206         ijk+=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(j+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*k);
<a name="l00207"></a>00207         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]==<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[ijk]) <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">add_particle_memory</a>(ijk);
<a name="l00208"></a>00208 }
<a name="l00209"></a>00209 <span class="comment"></span>
<a name="l00210"></a>00210 <span class="comment">/** Takes a particle position vector and computes the region index into which</span>
<a name="l00211"></a>00211 <span class="comment"> * it should be stored. If the container is periodic, then the routine also</span>
<a name="l00212"></a>00212 <span class="comment"> * maps the particle position to ensure it is in the primary domain. If the</span>
<a name="l00213"></a>00213 <span class="comment"> * container is not periodic, the routine bails out.</span>
<a name="l00214"></a>00214 <span class="comment"> * \param[out] ijk the region index.</span>
<a name="l00215"></a>00215 <span class="comment"> * \param[in,out] (x,y,z) the particle position, remapped into the primary</span>
<a name="l00216"></a>00216 <span class="comment"> *                        domain if necessary.</span>
<a name="l00217"></a>00217 <span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the particle is</span>
<a name="l00218"></a>00218 <span class="comment"> *                        in, with (0,0,0) corresponding to the primary domain.</span>
<a name="l00219"></a>00219 <span class="comment"> * \return True if the particle can be successfully placed into the container,</span>
<a name="l00220"></a>00220 <span class="comment"> * false otherwise. */</span>
<a name="l00221"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a8d0c8a32a6e31cdd8eecb335f5f68d22">00221</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#afcffffda4a00a48acb4243a74ed59c05">container_periodic_base::put_locate_block</a>(<span class="keywordtype">int</span> &amp;ijk,<span class="keywordtype">double</span> &amp;x,<span class="keywordtype">double</span> &amp;y,<span class="keywordtype">double</span> &amp;z,<span class="keywordtype">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak) {
<a name="l00222"></a>00222 
<a name="l00223"></a>00223         <span class="comment">// Remap particle in the z direction if necessary</span>
<a name="l00224"></a>00224         <span class="keywordtype">int</span> k=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(z*<a class="code" href="classvoro_1_1voro__base.html#ac51553412117b42816210e54805ad278">zsp</a>);
<a name="l00225"></a>00225         <span class="keywordflow">if</span>(k&lt;0||k&gt;=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>) {
<a name="l00226"></a>00226                 ak=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(k,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);
<a name="l00227"></a>00227                 z-=ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;y-=ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>;x-=ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>;k-=ak*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;
<a name="l00228"></a>00228         } <span class="keywordflow">else</span> ak=0;
<a name="l00229"></a>00229 
<a name="l00230"></a>00230         <span class="comment">// Remap particle in the y direction if necessary</span>
<a name="l00231"></a>00231         <span class="keywordtype">int</span> j=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(y*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>);
<a name="l00232"></a>00232         <span class="keywordflow">if</span>(j&lt;0||j&gt;=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>) {
<a name="l00233"></a>00233                 aj=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(j,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);
<a name="l00234"></a>00234                 y-=aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;x-=aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>;j-=aj*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;
<a name="l00235"></a>00235         } <span class="keywordflow">else</span> aj=0;
<a name="l00236"></a>00236 
<a name="l00237"></a>00237         <span class="comment">// Remap particle in the x direction if necessary</span>
<a name="l00238"></a>00238         ijk=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(x*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>);
<a name="l00239"></a>00239         <span class="keywordflow">if</span>(ijk&lt;0||ijk&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) {
<a name="l00240"></a>00240                 ai=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ijk,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);
<a name="l00241"></a>00241                 x-=ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;ijk-=ai*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;
<a name="l00242"></a>00242         } <span class="keywordflow">else</span> ai=0;
<a name="l00243"></a>00243 
<a name="l00244"></a>00244         <span class="comment">// Compute the block index and check memory allocation</span>
<a name="l00245"></a>00245         j+=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;k+=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;
<a name="l00246"></a>00246         ijk+=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(j+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*k);
<a name="l00247"></a>00247         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[ijk]==<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[ijk]) <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">add_particle_memory</a>(ijk);
<a name="l00248"></a>00248 }
<a name="l00249"></a>00249 <span class="comment"></span>
<a name="l00250"></a>00250 <span class="comment">/** Takes a position vector and remaps it into the primary domain.</span>
<a name="l00251"></a>00251 <span class="comment"> * \param[out] (ai,aj,ak) the periodic image displacement that the vector is in,</span>
<a name="l00252"></a>00252 <span class="comment"> *                        with (0,0,0) corresponding to the primary domain.</span>
<a name="l00253"></a>00253 <span class="comment"> * \param[out] (ci,cj,ck) the index of the block that the position vector is</span>
<a name="l00254"></a>00254 <span class="comment"> *                        within, once it has been remapped.</span>
<a name="l00255"></a>00255 <span class="comment"> * \param[in,out] (x,y,z) the position vector to consider, which is remapped</span>
<a name="l00256"></a>00256 <span class="comment"> *                        into the primary domain during the routine.</span>
<a name="l00257"></a>00257 <span class="comment"> * \param[out] ijk the block index that the vector is within. */</span>
<a name="l00258"></a><a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">00258</a> <span class="keyword">inline</span> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">container_periodic_base::remap</a>(<span class="keywordtype">int</span> &amp;ai,<span class="keywordtype">int</span> &amp;aj,<span class="keywordtype">int</span> &amp;ak,<span class="keywordtype">int</span> &amp;ci,<span class="keywordtype">int</span> &amp;cj,<span class="keywordtype">int</span> &amp;ck,<span class="keywordtype">double</span> &amp;x,<span class="keywordtype">double</span> &amp;y,<span class="keywordtype">double</span> &amp;z,<span class="keywordtype">int</span> &amp;ijk) {
<a name="l00259"></a>00259 
<a name="l00260"></a>00260         <span class="comment">// Remap particle in the z direction if necessary</span>
<a name="l00261"></a>00261         ck=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(z*<a class="code" href="classvoro_1_1voro__base.html#ac51553412117b42816210e54805ad278">zsp</a>);
<a name="l00262"></a>00262         <span class="keywordflow">if</span>(ck&lt;0||ck&gt;=<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>) {
<a name="l00263"></a>00263                 ak=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ck,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);
<a name="l00264"></a>00264                 z-=ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;y-=ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>;x-=ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>;ck-=ak*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;
<a name="l00265"></a>00265         } <span class="keywordflow">else</span> ak=0;
<a name="l00266"></a>00266 
<a name="l00267"></a>00267         <span class="comment">// Remap particle in the y direction if necessary</span>
<a name="l00268"></a>00268         cj=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(y*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>);
<a name="l00269"></a>00269         <span class="keywordflow">if</span>(cj&lt;0||cj&gt;=<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>) {
<a name="l00270"></a>00270                 aj=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(cj,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);
<a name="l00271"></a>00271                 y-=aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;x-=aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>;cj-=aj*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;
<a name="l00272"></a>00272         } <span class="keywordflow">else</span> aj=0;
<a name="l00273"></a>00273 
<a name="l00274"></a>00274         <span class="comment">// Remap particle in the x direction if necessary</span>
<a name="l00275"></a>00275         ci=<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(x*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>);
<a name="l00276"></a>00276         <span class="keywordflow">if</span>(ci&lt;0||ci&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) {
<a name="l00277"></a>00277                 ai=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ci,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);
<a name="l00278"></a>00278                 x-=ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;ci-=ai*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;
<a name="l00279"></a>00279         } <span class="keywordflow">else</span> ai=0;
<a name="l00280"></a>00280 
<a name="l00281"></a>00281         cj+=<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>;ck+=<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>;
<a name="l00282"></a>00282         ijk=ci+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(cj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*ck);
<a name="l00283"></a>00283 }
<a name="l00284"></a>00284 <span class="comment"></span>
<a name="l00285"></a>00285 <span class="comment">/** Takes a vector and finds the particle whose Voronoi cell contains that</span>
<a name="l00286"></a>00286 <span class="comment"> * vector. This is equivalent to finding the particle which is nearest to the</span>
<a name="l00287"></a>00287 <span class="comment"> * vector.</span>
<a name="l00288"></a>00288 <span class="comment"> * \param[in] (x,y,z) the vector to test.</span>
<a name="l00289"></a>00289 <span class="comment"> * \param[out] (rx,ry,rz) the position of the particle whose Voronoi cell</span>
<a name="l00290"></a>00290 <span class="comment"> *                        contains the vector. This may point to a particle in</span>
<a name="l00291"></a>00291 <span class="comment"> *                        a periodic image of the primary domain.</span>
<a name="l00292"></a>00292 <span class="comment"> * \param[out] pid the ID of the particle.</span>
<a name="l00293"></a>00293 <span class="comment"> * \return True if a particle was found. If the container has no particles,</span>
<a name="l00294"></a>00294 <span class="comment"> * then the search will not find a Voronoi cell and false is returned. */</span>
<a name="l00295"></a><a class="code" href="classvoro_1_1container__periodic.html#a5fa97cb936062142acc29e5870add6c6">00295</a> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic.html#a5fa97cb936062142acc29e5870add6c6">container_periodic::find_voronoi_cell</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> &amp;rx,<span class="keywordtype">double</span> &amp;ry,<span class="keywordtype">double</span> &amp;rz,<span class="keywordtype">int</span> &amp;pid) {
<a name="l00296"></a>00296         <span class="keywordtype">int</span> ai,aj,ak,ci,cj,ck,ijk;
<a name="l00297"></a>00297         <a class="code" href="structvoro_1_1particle__record.html" title="Structure for holding information about a particle.">particle_record</a> w;
<a name="l00298"></a>00298         <span class="keywordtype">double</span> mrs;
<a name="l00299"></a>00299 
<a name="l00300"></a>00300         <span class="comment">// Remap the vector into the primary domain and then search for the</span>
<a name="l00301"></a>00301         <span class="comment">// Voronoi cell that it is within</span>
<a name="l00302"></a>00302         <a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">remap</a>(ai,aj,ak,ci,cj,ck,x,y,z,ijk);
<a name="l00303"></a>00303         vc.<a class="code" href="classvoro_1_1voro__compute.html#aa0b01474a0cf0b230b736e7352404d8d">find_voronoi_cell</a>(x,y,z,ci,cj,ck,ijk,w,mrs);
<a name="l00304"></a>00304 
<a name="l00305"></a>00305         <span class="keywordflow">if</span>(w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>!=-1) {
<a name="l00306"></a>00306 
<a name="l00307"></a>00307                 <span class="comment">// Assemble the position vector of the particle to be returned,</span>
<a name="l00308"></a>00308                 <span class="comment">// applying a periodic remapping if necessary</span>
<a name="l00309"></a>00309                 ci+=w.<a class="code" href="structvoro_1_1particle__record.html#a36ea6a17eb9dc145a3e5f14720b30d15">di</a>;<span class="keywordflow">if</span>(ci&lt;0||ci&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) ai+=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ci,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);
<a name="l00310"></a>00310                 rx=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][3*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>]+ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>+ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00311"></a>00311                 ry=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][3*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+1]+ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;
<a name="l00312"></a>00312                 rz=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][3*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+2]+ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;
<a name="l00313"></a>00313                 pid=<span class="keywordtype">id</span>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>];
<a name="l00314"></a>00314                 <span class="keywordflow">return</span> <span class="keyword">true</span>;
<a name="l00315"></a>00315         }
<a name="l00316"></a>00316         <span class="keywordflow">return</span> <span class="keyword">false</span>;
<a name="l00317"></a>00317 }
<a name="l00318"></a>00318 <span class="comment"></span>
<a name="l00319"></a>00319 <span class="comment">/** Takes a vector and finds the particle whose Voronoi cell contains that</span>
<a name="l00320"></a>00320 <span class="comment"> * vector. Additional wall classes are not considered by this routine.</span>
<a name="l00321"></a>00321 <span class="comment"> * \param[in] (x,y,z) the vector to test.</span>
<a name="l00322"></a>00322 <span class="comment"> * \param[out] (rx,ry,rz) the position of the particle whose Voronoi cell</span>
<a name="l00323"></a>00323 <span class="comment"> *                        contains the vector. If the container is periodic,</span>
<a name="l00324"></a>00324 <span class="comment"> *                        this may point to a particle in a periodic image of</span>
<a name="l00325"></a>00325 <span class="comment"> *                        the primary domain.</span>
<a name="l00326"></a>00326 <span class="comment"> * \param[out] pid the ID of the particle.</span>
<a name="l00327"></a>00327 <span class="comment"> * \return True if a particle was found. If the container has no particles,</span>
<a name="l00328"></a>00328 <span class="comment"> * then the search will not find a Voronoi cell and false is returned. */</span>
<a name="l00329"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#ac3536b067b34a16efada8286ebc50586">00329</a> <span class="keywordtype">bool</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ac3536b067b34a16efada8286ebc50586">container_periodic_poly::find_voronoi_cell</a>(<span class="keywordtype">double</span> x,<span class="keywordtype">double</span> y,<span class="keywordtype">double</span> z,<span class="keywordtype">double</span> &amp;rx,<span class="keywordtype">double</span> &amp;ry,<span class="keywordtype">double</span> &amp;rz,<span class="keywordtype">int</span> &amp;pid) {
<a name="l00330"></a>00330         <span class="keywordtype">int</span> ai,aj,ak,ci,cj,ck,ijk;
<a name="l00331"></a>00331         <a class="code" href="structvoro_1_1particle__record.html" title="Structure for holding information about a particle.">particle_record</a> w;
<a name="l00332"></a>00332         <span class="keywordtype">double</span> mrs;
<a name="l00333"></a>00333 
<a name="l00334"></a>00334         <span class="comment">// Remap the vector into the primary domain and then search for the</span>
<a name="l00335"></a>00335         <span class="comment">// Voronoi cell that it is within</span>
<a name="l00336"></a>00336         <a class="code" href="classvoro_1_1container__periodic__base.html#ac5b0b78cf8fe46f7e3c7124dbf4e0729">remap</a>(ai,aj,ak,ci,cj,ck,x,y,z,ijk);
<a name="l00337"></a>00337         vc.<a class="code" href="classvoro_1_1voro__compute.html#aa0b01474a0cf0b230b736e7352404d8d">find_voronoi_cell</a>(x,y,z,ci,cj,ck,ijk,w,mrs);
<a name="l00338"></a>00338 
<a name="l00339"></a>00339         <span class="keywordflow">if</span>(w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>!=-1) {
<a name="l00340"></a>00340 
<a name="l00341"></a>00341                 <span class="comment">// Assemble the position vector of the particle to be returned,</span>
<a name="l00342"></a>00342                 <span class="comment">// applying a periodic remapping if necessary</span>
<a name="l00343"></a>00343                 ci+=w.<a class="code" href="structvoro_1_1particle__record.html#a36ea6a17eb9dc145a3e5f14720b30d15">di</a>;<span class="keywordflow">if</span>(ci&lt;0||ci&gt;=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>) ai+=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(ci,<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>);
<a name="l00344"></a>00344                 rx=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][4*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>]+ak*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>+ai*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00345"></a>00345                 ry=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][4*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+1]+ak*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>+aj*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;
<a name="l00346"></a>00346                 rz=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][4*w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>+2]+ak*<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>;
<a name="l00347"></a>00347                 pid=<span class="keywordtype">id</span>[w.<a class="code" href="structvoro_1_1particle__record.html#ac65fa5fc929dda2dd454369eab68ef8b">ijk</a>][w.<a class="code" href="structvoro_1_1particle__record.html#a5faf0f540ad3ee3ffcee5cae5a8b20fc">l</a>];
<a name="l00348"></a>00348                 <span class="keywordflow">return</span> <span class="keyword">true</span>;
<a name="l00349"></a>00349         }
<a name="l00350"></a>00350         <span class="keywordflow">return</span> <span class="keyword">false</span>;
<a name="l00351"></a>00351 }
<a name="l00352"></a>00352 <span class="comment"></span>
<a name="l00353"></a>00353 <span class="comment">/** Increase memory for a particular region.</span>
<a name="l00354"></a>00354 <span class="comment"> * \param[in] i the index of the region to reallocate. */</span>
<a name="l00355"></a><a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">00355</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">container_periodic_base::add_particle_memory</a>(<span class="keywordtype">int</span> i) {
<a name="l00356"></a>00356 
<a name="l00357"></a>00357         <span class="comment">// Handle the case when no memory has been allocated for this block</span>
<a name="l00358"></a>00358         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]==0) {
<a name="l00359"></a>00359                 <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]=<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>;
<a name="l00360"></a>00360                 <span class="keywordtype">id</span>[i]=<span class="keyword">new</span> <span class="keywordtype">int</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];
<a name="l00361"></a>00361                 <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i]=<span class="keyword">new</span> <span class="keywordtype">double</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#adeaa9eab58ba59f2fa3d7176ce617ff1">init_mem</a>];
<a name="l00362"></a>00362                 <span class="keywordflow">return</span>;
<a name="l00363"></a>00363         }
<a name="l00364"></a>00364 
<a name="l00365"></a>00365         <span class="comment">// Otherwise, double the memory allocation for this block. Carry out a</span>
<a name="l00366"></a>00366         <span class="comment">// check on the memory allocation size, and print a status message if</span>
<a name="l00367"></a>00367         <span class="comment">// requested.</span>
<a name="l00368"></a>00368         <span class="keywordtype">int</span> l,nmem(<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]&lt;&lt;1);
<a name="l00369"></a>00369         <span class="keywordflow">if</span>(nmem&gt;max_particle_memory)
<a name="l00370"></a>00370                 voro_fatal_error(<span class="stringliteral">&quot;Absolute maximum memory allocation exceeded&quot;</span>,<a class="code" href="config_8hh.html#a5dc0616f8a67ae3d1c2ba8a3dcf5612b">VOROPP_MEMORY_ERROR</a>);
<a name="l00371"></a>00371 <span class="preprocessor">#if VOROPP_VERBOSE &gt;=3</span>
<a name="l00372"></a>00372 <span class="preprocessor"></span>        fprintf(stderr,<span class="stringliteral">&quot;Particle memory in region %d scaled up to %d\n&quot;</span>,i,nmem);
<a name="l00373"></a>00373 <span class="preprocessor">#endif</span>
<a name="l00374"></a>00374 <span class="preprocessor"></span>
<a name="l00375"></a>00375         <span class="comment">// Allocate new memory and copy in the contents of the old arrays</span>
<a name="l00376"></a>00376         <span class="keywordtype">int</span> *idp=<span class="keyword">new</span> <span class="keywordtype">int</span>[nmem];
<a name="l00377"></a>00377         <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[i];l++) idp[l]=<span class="keywordtype">id</span>[i][l];
<a name="l00378"></a>00378         <span class="keywordtype">double</span> *pp=<span class="keyword">new</span> <span class="keywordtype">double</span>[<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*nmem];
<a name="l00379"></a>00379         <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*co[i];l++) pp[l]=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i][l];
<a name="l00380"></a>00380 
<a name="l00381"></a>00381         <span class="comment">// Update pointers and delete old arrays</span>
<a name="l00382"></a>00382         <a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[i]=nmem;
<a name="l00383"></a>00383         <span class="keyword">delete</span> [] <span class="keywordtype">id</span>[i];<span class="keywordtype">id</span>[i]=idp;
<a name="l00384"></a>00384         <span class="keyword">delete</span> [] <a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i];<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[i]=pp;
<a name="l00385"></a>00385 }
<a name="l00386"></a>00386 <span class="comment"></span>
<a name="l00387"></a>00387 <span class="comment">/** Import a list of particles from an open file stream into the container.</span>
<a name="l00388"></a>00388 <span class="comment"> * Entries of four numbers (Particle ID, x position, y position, z position)</span>
<a name="l00389"></a>00389 <span class="comment"> * are searched for. If the file cannot be successfully read, then the routine</span>
<a name="l00390"></a>00390 <span class="comment"> * causes a fatal error.</span>
<a name="l00391"></a>00391 <span class="comment"> * \param[in] fp the file handle to read from. */</span>
<a name="l00392"></a><a class="code" href="classvoro_1_1container__periodic.html#ad5073f573187aa00569d3562cdfa4f49">00392</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#ad5073f573187aa00569d3562cdfa4f49">container_periodic::import</a>(FILE *fp) {
<a name="l00393"></a>00393         <span class="keywordtype">int</span> i,j;
<a name="l00394"></a>00394         <span class="keywordtype">double</span> x,y,z;
<a name="l00395"></a>00395         <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z))==4) <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">put</a>(i,x,y,z);
<a name="l00396"></a>00396         <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);
<a name="l00397"></a>00397 }
<a name="l00398"></a>00398 <span class="comment"></span>
<a name="l00399"></a>00399 <span class="comment">/** Import a list of particles from an open file stream, also storing the order</span>
<a name="l00400"></a>00400 <span class="comment"> * of that the particles are read. Entries of four numbers (Particle ID, x</span>
<a name="l00401"></a>00401 <span class="comment"> * position, y position, z position) are searched for. If the file cannot be</span>
<a name="l00402"></a>00402 <span class="comment"> * successfully read, then the routine causes a fatal error.</span>
<a name="l00403"></a>00403 <span class="comment"> * \param[in,out] vo a reference to an ordering class to use.</span>
<a name="l00404"></a>00404 <span class="comment"> * \param[in] fp the file handle to read from. */</span>
<a name="l00405"></a><a class="code" href="classvoro_1_1container__periodic.html#a9ad39c3dcd9311183c671a78a5263c2c">00405</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#ad5073f573187aa00569d3562cdfa4f49">container_periodic::import</a>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,FILE *fp) {
<a name="l00406"></a>00406         <span class="keywordtype">int</span> i,j;
<a name="l00407"></a>00407         <span class="keywordtype">double</span> x,y,z;
<a name="l00408"></a>00408         <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z))==4) <a class="code" href="classvoro_1_1container__periodic.html#afa9abf680a0dc08650ada11a2eff0be6">put</a>(vo,i,x,y,z);
<a name="l00409"></a>00409         <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);
<a name="l00410"></a>00410 }
<a name="l00411"></a>00411 <span class="comment"></span>
<a name="l00412"></a>00412 <span class="comment">/** Import a list of particles from an open file stream into the container.</span>
<a name="l00413"></a>00413 <span class="comment"> * Entries of five numbers (Particle ID, x position, y position, z position,</span>
<a name="l00414"></a>00414 <span class="comment"> * radius) are searched for. If the file cannot be successfully read, then the</span>
<a name="l00415"></a>00415 <span class="comment"> * routine causes a fatal error.</span>
<a name="l00416"></a>00416 <span class="comment"> * \param[in] fp the file handle to read from. */</span>
<a name="l00417"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#afbd03ab4c06af15913d2641be39513c9">00417</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#afbd03ab4c06af15913d2641be39513c9">container_periodic_poly::import</a>(FILE *fp) {
<a name="l00418"></a>00418         <span class="keywordtype">int</span> i,j;
<a name="l00419"></a>00419         <span class="keywordtype">double</span> x,y,z,r;
<a name="l00420"></a>00420         <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z,&amp;r))==5) <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">put</a>(i,x,y,z,r);
<a name="l00421"></a>00421         <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);
<a name="l00422"></a>00422 }
<a name="l00423"></a>00423 <span class="comment"></span>
<a name="l00424"></a>00424 <span class="comment">/** Import a list of particles from an open file stream, also storing the order</span>
<a name="l00425"></a>00425 <span class="comment"> * of that the particles are read. Entries of four numbers (Particle ID, x</span>
<a name="l00426"></a>00426 <span class="comment"> * position, y position, z position, radius) are searched for. If the file</span>
<a name="l00427"></a>00427 <span class="comment"> * cannot be successfully read, then the routine causes a fatal error.</span>
<a name="l00428"></a>00428 <span class="comment"> * \param[in,out] vo a reference to an ordering class to use.</span>
<a name="l00429"></a>00429 <span class="comment"> * \param[in] fp the file handle to read from. */</span>
<a name="l00430"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#adaee2751c053589ba3eb1e5419e7d405">00430</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#afbd03ab4c06af15913d2641be39513c9">container_periodic_poly::import</a>(<a class="code" href="classvoro_1_1particle__order.html" title="A class for storing ordering information when particles are added to a container.">particle_order</a> &amp;vo,FILE *fp) {
<a name="l00431"></a>00431         <span class="keywordtype">int</span> i,j;
<a name="l00432"></a>00432         <span class="keywordtype">double</span> x,y,z,r;
<a name="l00433"></a>00433         <span class="keywordflow">while</span>((j=fscanf(fp,<span class="stringliteral">&quot;%d %lg %lg %lg %lg&quot;</span>,&amp;i,&amp;x,&amp;y,&amp;z,&amp;r))==5) <a class="code" href="classvoro_1_1container__periodic__poly.html#a1cbdd9c92900e08173e1ea3a6e2e6df4">put</a>(vo,i,x,y,z,r);
<a name="l00434"></a>00434         <span class="keywordflow">if</span>(j!=EOF) voro_fatal_error(<span class="stringliteral">&quot;File import error&quot;</span>,<a class="code" href="config_8hh.html#a8de7f106cac2556a67bcc61bd364ed38">VOROPP_FILE_ERROR</a>);
<a name="l00435"></a>00435 }
<a name="l00436"></a>00436 <span class="comment"></span>
<a name="l00437"></a>00437 <span class="comment">/** Outputs the a list of all the container regions along with the number of</span>
<a name="l00438"></a>00438 <span class="comment"> * particles stored within each. */</span>
<a name="l00439"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a8462c3a3079586196e2bd9a764283173">00439</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a8462c3a3079586196e2bd9a764283173">container_periodic_base::region_count</a>() {
<a name="l00440"></a>00440         <span class="keywordtype">int</span> i,j,k,*cop=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;
<a name="l00441"></a>00441         <span class="keywordflow">for</span>(k=0;k&lt;<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>;k++) <span class="keywordflow">for</span>(j=0;j&lt;<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>;j++) <span class="keywordflow">for</span>(i=0;i&lt;<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;i++)
<a name="l00442"></a>00442                 printf(<span class="stringliteral">&quot;Region (%d,%d,%d): %d particles\n&quot;</span>,i,j,k,*(cop++));
<a name="l00443"></a>00443 }
<a name="l00444"></a>00444 <span class="comment"></span>
<a name="l00445"></a>00445 <span class="comment">/** Clears a container of particles. */</span>
<a name="l00446"></a><a class="code" href="classvoro_1_1container__periodic.html#a5394f52caa441d83c5aba6cf0e254116">00446</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a5394f52caa441d83c5aba6cf0e254116">container_periodic::clear</a>() {
<a name="l00447"></a>00447         <span class="keywordflow">for</span>(<span class="keywordtype">int</span> *cop=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;cop&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>+<a class="code" href="classvoro_1_1voro__base.html#a4309aca04ab561bd3b3921e9b73016a4">nxyz</a>;cop++) *cop=0;
<a name="l00448"></a>00448 }
<a name="l00449"></a>00449 <span class="comment"></span>
<a name="l00450"></a>00450 <span class="comment">/** Clears a container of particles, also clearing resetting the maximum radius</span>
<a name="l00451"></a>00451 <span class="comment"> * to zero. */</span>
<a name="l00452"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#a4dd33f8d67680a65864245a90ac883a2">00452</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a4dd33f8d67680a65864245a90ac883a2">container_periodic_poly::clear</a>() {
<a name="l00453"></a>00453         <span class="keywordflow">for</span>(<span class="keywordtype">int</span> *cop=<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>;cop&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>+<a class="code" href="classvoro_1_1voro__base.html#a4309aca04ab561bd3b3921e9b73016a4">nxyz</a>;cop++) *cop=0;
<a name="l00454"></a>00454         <a class="code" href="classvoro_1_1radius__poly.html#a9faed3ac8ef95c646e376a7fe915fb0b">max_radius</a>=0;
<a name="l00455"></a>00455 }
<a name="l00456"></a>00456 <span class="comment"></span>
<a name="l00457"></a>00457 <span class="comment">/** Computes all the Voronoi cells and saves customized information about them.</span>
<a name="l00458"></a>00458 <span class="comment"> * \param[in] format the custom output string to use.</span>
<a name="l00459"></a>00459 <span class="comment"> * \param[in] fp a file handle to write to. */</span>
<a name="l00460"></a><a class="code" href="classvoro_1_1container__periodic.html#abdae5633b67aa3cfcc7b04f9381e4fcd">00460</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">container_periodic::print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp) {
<a name="l00461"></a>00461         <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);
<a name="l00462"></a>00462         <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">print_custom</a>(vl,format,fp);
<a name="l00463"></a>00463 }
<a name="l00464"></a>00464 <span class="comment"></span>
<a name="l00465"></a>00465 <span class="comment">/** Computes all the Voronoi cells and saves customized</span>
<a name="l00466"></a>00466 <span class="comment"> * information about them.</span>
<a name="l00467"></a>00467 <span class="comment"> * \param[in] format the custom output string to use.</span>
<a name="l00468"></a>00468 <span class="comment"> * \param[in] fp a file handle to write to. */</span>
<a name="l00469"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#ad4225ecfa4e188a773344ffa1f3127a0">00469</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">container_periodic_poly::print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,FILE *fp) {
<a name="l00470"></a>00470         <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);
<a name="l00471"></a>00471         <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">print_custom</a>(vl,format,fp);
<a name="l00472"></a>00472 }
<a name="l00473"></a>00473 <span class="comment"></span>
<a name="l00474"></a>00474 <span class="comment">/** Computes all the Voronoi cells and saves customized information about them.</span>
<a name="l00475"></a>00475 <span class="comment"> * \param[in] format the custom output string to use.</span>
<a name="l00476"></a>00476 <span class="comment"> * \param[in] filename the name of the file to write to. */</span>
<a name="l00477"></a><a class="code" href="classvoro_1_1container__periodic.html#adfe60b3e007ae8405ddca2e063957c3e">00477</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">container_periodic::print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {
<a name="l00478"></a>00478         FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);
<a name="l00479"></a>00479         <a class="code" href="classvoro_1_1container__periodic.html#adeb50c6841166e59a6be150d7adb4212">print_custom</a>(format,fp);
<a name="l00480"></a>00480         fclose(fp);
<a name="l00481"></a>00481 }
<a name="l00482"></a>00482 <span class="comment"></span>
<a name="l00483"></a>00483 <span class="comment">/** Computes all the Voronoi cells and saves customized</span>
<a name="l00484"></a>00484 <span class="comment"> * information about them</span>
<a name="l00485"></a>00485 <span class="comment"> * \param[in] format the custom output string to use.</span>
<a name="l00486"></a>00486 <span class="comment"> * \param[in] filename the name of the file to write to. */</span>
<a name="l00487"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#a8f5e68c2068f0c73187acc9ad654335c">00487</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">container_periodic_poly::print_custom</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> *format,<span class="keyword">const</span> <span class="keywordtype">char</span> *filename) {
<a name="l00488"></a>00488         FILE *fp=safe_fopen(filename,<span class="stringliteral">&quot;w&quot;</span>);
<a name="l00489"></a>00489         <a class="code" href="classvoro_1_1container__periodic__poly.html#a7f4fc079c9386a4440417a38866acfa5">print_custom</a>(format,fp);
<a name="l00490"></a>00490         fclose(fp);
<a name="l00491"></a>00491 }
<a name="l00492"></a>00492 <span class="comment"></span>
<a name="l00493"></a>00493 <span class="comment">/** Computes all of the Voronoi cells in the container, but does nothing</span>
<a name="l00494"></a>00494 <span class="comment"> * with the output. It is useful for measuring the pure computation time</span>
<a name="l00495"></a>00495 <span class="comment"> * of the Voronoi algorithm, without any additional calculations such as</span>
<a name="l00496"></a>00496 <span class="comment"> * volume evaluation or cell output. */</span>
<a name="l00497"></a><a class="code" href="classvoro_1_1container__periodic.html#a0b374a8ad39646bf22468e535b08a187">00497</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic.html#a0b374a8ad39646bf22468e535b08a187">container_periodic::compute_all_cells</a>() {
<a name="l00498"></a>00498         <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;
<a name="l00499"></a>00499         <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);
<a name="l00500"></a>00500         <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <span class="keywordflow">do</span> <a class="code" href="classvoro_1_1container__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(c,vl);
<a name="l00501"></a>00501         <span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());
<a name="l00502"></a>00502 }
<a name="l00503"></a>00503 <span class="comment"></span>
<a name="l00504"></a>00504 <span class="comment">/** Computes all of the Voronoi cells in the container, but does nothing</span>
<a name="l00505"></a>00505 <span class="comment"> * with the output. It is useful for measuring the pure computation time</span>
<a name="l00506"></a>00506 <span class="comment"> * of the Voronoi algorithm, without any additional calculations such as</span>
<a name="l00507"></a>00507 <span class="comment"> * volume evaluation or cell output. */</span>
<a name="l00508"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#ab19ca1d361472a1c7dc35023fd20297c">00508</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ab19ca1d361472a1c7dc35023fd20297c">container_periodic_poly::compute_all_cells</a>() {
<a name="l00509"></a>00509         <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;
<a name="l00510"></a>00510         <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);
<a name="l00511"></a>00511         <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <span class="keywordflow">do</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(c,vl);<span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());
<a name="l00512"></a>00512 }
<a name="l00513"></a>00513 <span class="comment"></span>
<a name="l00514"></a>00514 <span class="comment">/** Calculates all of the Voronoi cells and sums their volumes. In most cases</span>
<a name="l00515"></a>00515 <span class="comment"> * without walls, the sum of the Voronoi cell volumes should equal the volume</span>
<a name="l00516"></a>00516 <span class="comment"> * of the container to numerical precision.</span>
<a name="l00517"></a>00517 <span class="comment"> * \return The sum of all of the computed Voronoi volumes. */</span>
<a name="l00518"></a><a class="code" href="classvoro_1_1container__periodic.html#a0f60071a597dec1065a5ab122cf72415">00518</a> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__periodic.html#a0f60071a597dec1065a5ab122cf72415">container_periodic::sum_cell_volumes</a>() {
<a name="l00519"></a>00519         <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;
<a name="l00520"></a>00520         <span class="keywordtype">double</span> vol=0;
<a name="l00521"></a>00521         <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);
<a name="l00522"></a>00522         <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic.html#af5cc004a3be4a1eecb037fe9f4b9e2ff">compute_cell</a>(c,vl)) vol+=c.<a class="code" href="classvoro_1_1voronoicell__base.html#a92f69986a6f78e7b8b6d9f5778ed99ba">volume</a>();<span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());
<a name="l00523"></a>00523         <span class="keywordflow">return</span> vol;
<a name="l00524"></a>00524 }
<a name="l00525"></a>00525 <span class="comment"></span>
<a name="l00526"></a>00526 <span class="comment">/** Calculates all of the Voronoi cells and sums their volumes. In most cases</span>
<a name="l00527"></a>00527 <span class="comment"> * without walls, the sum of the Voronoi cell volumes should equal the volume</span>
<a name="l00528"></a>00528 <span class="comment"> * of the container to numerical precision.</span>
<a name="l00529"></a>00529 <span class="comment"> * \return The sum of all of the computed Voronoi volumes. */</span>
<a name="l00530"></a><a class="code" href="classvoro_1_1container__periodic__poly.html#ac3a665f34e5aee05a6d36abb5289f796">00530</a> <span class="keywordtype">double</span> <a class="code" href="classvoro_1_1container__periodic__poly.html#ac3a665f34e5aee05a6d36abb5289f796">container_periodic_poly::sum_cell_volumes</a>() {
<a name="l00531"></a>00531         <a class="code" href="classvoro_1_1voronoicell.html" title="Extension of the voronoicell_base class to represent a Voronoi cell without neighbor information...">voronoicell</a> c;
<a name="l00532"></a>00532         <span class="keywordtype">double</span> vol=0;
<a name="l00533"></a>00533         <a class="code" href="classvoro_1_1c__loop__all__periodic.html" title="A class for looping over all particles in a container_periodic or container_periodic_poly class...">c_loop_all_periodic</a> vl(*<span class="keyword">this</span>);
<a name="l00534"></a>00534         <span class="keywordflow">if</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ab7b002f40adfe7116d3db77d6bb95f4c">start</a>()) <span class="keywordflow">do</span> <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__poly.html#a399d6b409b62005a0da290a89c4fdadb">compute_cell</a>(c,vl)) vol+=c.<a class="code" href="classvoro_1_1voronoicell__base.html#a92f69986a6f78e7b8b6d9f5778ed99ba">volume</a>();<span class="keywordflow">while</span>(vl.<a class="code" href="classvoro_1_1c__loop__all__periodic.html#ac25d006faa31cee1d1b6bbc621532651">inc</a>());
<a name="l00535"></a>00535         <span class="keywordflow">return</span> vol;
<a name="l00536"></a>00536 }
<a name="l00537"></a>00537 <span class="comment"></span>
<a name="l00538"></a>00538 <span class="comment">/** This routine creates all periodic images of the particles. It is meant for</span>
<a name="l00539"></a>00539 <span class="comment"> * diagnostic purposes only, since usually periodic images are dynamically</span>
<a name="l00540"></a>00540 <span class="comment"> * created in when they are referenced. */</span>
<a name="l00541"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a9e622a40386d97fcb015ff4ed792ff44">00541</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a9e622a40386d97fcb015ff4ed792ff44">container_periodic_base::create_all_images</a>() {
<a name="l00542"></a>00542         <span class="keywordtype">int</span> i,j,k;
<a name="l00543"></a>00543         <span class="keywordflow">for</span>(k=0;k&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#ab1f18c51495f684dfc4d3372f9b311da">oz</a>;k++) <span class="keywordflow">for</span>(j=0;j&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>;j++) <span class="keywordflow">for</span>(i=0;i&lt;<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;i++) <a class="code" href="classvoro_1_1container__periodic__base.html#a11b7428673e4791fe651036ecda0cd12">create_periodic_image</a>(i,j,k);
<a name="l00544"></a>00544 }
<a name="l00545"></a>00545 <span class="comment"></span>
<a name="l00546"></a>00546 <span class="comment">/** Checks that the particles within each block lie within that block&#39;s bounds.</span>
<a name="l00547"></a>00547 <span class="comment"> * This is useful for diagnosing problems with periodic image computation. */</span>
<a name="l00548"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a133f1be4a780183fd6bd7c008c65482d">00548</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a133f1be4a780183fd6bd7c008c65482d">container_periodic_base::check_compartmentalized</a>() {
<a name="l00549"></a>00549         <span class="keywordtype">int</span> c,l,i,j,k;
<a name="l00550"></a>00550         <span class="keywordtype">double</span> mix,miy,miz,max,may,maz,*pp;
<a name="l00551"></a>00551         <span class="keywordflow">for</span>(k=l=0;k&lt;oz;k++) for(j=0;j&lt;oy;j++) for(i=0;i&lt;nx;i++,l++) if(mem[l]&gt;0) {
<a name="l00552"></a>00552 
<a name="l00553"></a>00553                 <span class="comment">// Compute the block&#39;s bounds, adding in a small tolerance</span>
<a name="l00554"></a>00554                 mix=i*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>-tolerance;max=mix+<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>+tolerance;
<a name="l00555"></a>00555                 miy=(j-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>)*<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>-tolerance;may=miy+<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>+tolerance;
<a name="l00556"></a>00556                 miz=(k-<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>)*<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>-tolerance;maz=miz+<a class="code" href="classvoro_1_1voro__base.html#afd53f018c9641c8b8066e9429c88a4e0">boxz</a>+tolerance;
<a name="l00557"></a>00557 
<a name="l00558"></a>00558                 <span class="comment">// Print entries for any particles that lie outside the block&#39;s</span>
<a name="l00559"></a>00559                 <span class="comment">// bounds</span>
<a name="l00560"></a>00560                 <span class="keywordflow">for</span>(pp=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[l],c=0;c&lt;co[l];c++,pp+=ps) if(*pp&lt;mix||*pp&gt;max||pp[1]&lt;miy||pp[1]&gt;may||pp[2]&lt;miz||pp[2]&gt;maz)
<a name="l00561"></a>00561                         printf(<span class="stringliteral">&quot;%d %d %d %d %f %f %f %f %f %f %f %f %f\n&quot;</span>,
<a name="l00562"></a>00562                                <span class="keywordtype">id</span>[l][c],i,j,k,*pp,pp[1],pp[2],mix,max,miy,may,miz,maz);
<a name="l00563"></a>00563         }
<a name="l00564"></a>00564 }
<a name="l00565"></a>00565 <span class="comment"></span>
<a name="l00566"></a>00566 <span class="comment">/** Creates particles within an image block that is aligned with the primary</span>
<a name="l00567"></a>00567 <span class="comment"> * domain in the z axis. In this case, the image block may be comprised of</span>
<a name="l00568"></a>00568 <span class="comment"> * particles from two primary blocks. The routine considers these two primary</span>
<a name="l00569"></a>00569 <span class="comment"> * blocks, and adds the needed particles to the image. The remaining particles</span>
<a name="l00570"></a>00570 <span class="comment"> * from the primary blocks are also filled into the neighboring images.</span>
<a name="l00571"></a>00571 <span class="comment"> * \param[in] (di,dj,dk) the index of the block to consider. The z index must</span>
<a name="l00572"></a>00572 <span class="comment"> *                       satisfy ez&lt;=dk&lt;wz. */</span>
<a name="l00573"></a><a class="code" href="classvoro_1_1container__periodic__base.html#aa16ea029bbf80a1fdec3e6bba675e704">00573</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#aa16ea029bbf80a1fdec3e6bba675e704">container_periodic_base::create_side_image</a>(<span class="keywordtype">int</span> di,<span class="keywordtype">int</span> dj,<span class="keywordtype">int</span> dk) {
<a name="l00574"></a>00574         <span class="keywordtype">int</span> l,dijk=di+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(dj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*dk),odijk,ima=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(dj-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);
<a name="l00575"></a>00575         <span class="keywordtype">int</span> qua=di+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(-ima*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>),quadiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qua,nx);
<a name="l00576"></a>00576         <span class="keywordtype">int</span> fi=qua-quadiv*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>,fijk=fi+nx*(dj-ima*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*dk);
<a name="l00577"></a>00577         <span class="keywordtype">double</span> dis=ima*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>+quadiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>,switchx=di*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>-ima*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>-quadiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>,adis;
<a name="l00578"></a>00578 
<a name="l00579"></a>00579         <span class="comment">// Left image computation</span>
<a name="l00580"></a>00580         <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;1)==0) {
<a name="l00581"></a>00581                 <span class="keywordflow">if</span>(di&gt;0) {
<a name="l00582"></a>00582                         odijk=dijk-1;adis=dis;
<a name="l00583"></a>00583                 } <span class="keywordflow">else</span> {
<a name="l00584"></a>00584                         odijk=dijk+nx-1;adis=dis+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00585"></a>00585                 }
<a name="l00586"></a>00586                 <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[odijk]|=2;
<a name="l00587"></a>00587                 <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {
<a name="l00588"></a>00588                         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,dis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);
<a name="l00589"></a>00589                         <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(odijk,fijk,l,adis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);
<a name="l00590"></a>00590                 }
<a name="l00591"></a>00591         }
<a name="l00592"></a>00592 
<a name="l00593"></a>00593         <span class="comment">// Right image computation</span>
<a name="l00594"></a>00594         <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;2)==0) {
<a name="l00595"></a>00595                 <span class="keywordflow">if</span>(fi==nx-1) {
<a name="l00596"></a>00596                         fijk+=1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchx+=(1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>)*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;dis+=<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00597"></a>00597                 } <span class="keywordflow">else</span> {
<a name="l00598"></a>00598                         fijk++;switchx+=<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;
<a name="l00599"></a>00599                 }
<a name="l00600"></a>00600                 <span class="keywordflow">if</span>(di==nx-1) {
<a name="l00601"></a>00601                         odijk=dijk-nx+1;adis=dis-<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00602"></a>00602                 } <span class="keywordflow">else</span> {
<a name="l00603"></a>00603                         odijk=dijk+1;adis=dis;
<a name="l00604"></a>00604                 }
<a name="l00605"></a>00605                 <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[odijk]|=1;
<a name="l00606"></a>00606                 <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {
<a name="l00607"></a>00607                         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&lt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,dis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);
<a name="l00608"></a>00608                         <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(odijk,fijk,l,adis,<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>*ima,0);
<a name="l00609"></a>00609                 }
<a name="l00610"></a>00610         }
<a name="l00611"></a>00611 
<a name="l00612"></a>00612         <span class="comment">// All contributions to the block now added, so set both two bits of</span>
<a name="l00613"></a>00613         <span class="comment">// the image information</span>
<a name="l00614"></a>00614         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]=3;
<a name="l00615"></a>00615 }
<a name="l00616"></a>00616 <span class="comment"></span>
<a name="l00617"></a>00617 <span class="comment">/** Creates particles within an image block that is not aligned with the</span>
<a name="l00618"></a>00618 <span class="comment"> * primary domain in the z axis. In this case, the image block may be comprised</span>
<a name="l00619"></a>00619 <span class="comment"> * of particles from four primary blocks. The routine considers these four</span>
<a name="l00620"></a>00620 <span class="comment"> * primary blocks, and adds the needed particles to the image. The remaining</span>
<a name="l00621"></a>00621 <span class="comment"> * particles from the primary blocks are also filled into the neighboring</span>
<a name="l00622"></a>00622 <span class="comment"> * images.</span>
<a name="l00623"></a>00623 <span class="comment"> * \param[in] (di,dj,dk) the index of the block to consider. The z index must</span>
<a name="l00624"></a>00624 <span class="comment"> *                       satisfy dk&lt;ez or dk&gt;=wz. */</span>
<a name="l00625"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a8d3545b219d91aee864b224829b6a644">00625</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a8d3545b219d91aee864b224829b6a644">container_periodic_base::create_vertical_image</a>(<span class="keywordtype">int</span> di,<span class="keywordtype">int</span> dj,<span class="keywordtype">int</span> dk) {
<a name="l00626"></a>00626         <span class="keywordtype">int</span> l,dijk=di+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>*(dj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*dk),dijkl,dijkr,ima=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(dk-<a class="code" href="classvoro_1_1container__periodic__base.html#a9920ab99f51190399ceda8fb8689364f">ez</a>,<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>);
<a name="l00627"></a>00627         <span class="keywordtype">int</span> qj=dj+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(-ima*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>*<a class="code" href="classvoro_1_1voro__base.html#a300808cb0ccab85eb61dd0b25a5076de">ysp</a>),qjdiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qj-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>,<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>);
<a name="l00628"></a>00628         <span class="keywordtype">int</span> qi=di+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>((-ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>-qjdiv*<a class="code" href="classvoro_1_1unitcell.html#a572a7b91539af3c0707b6caccbf15f35">bxy</a>)*<a class="code" href="classvoro_1_1voro__base.html#ad708515772990e5b2fa4e93c330f7aa0">xsp</a>),qidiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qi,nx);
<a name="l00629"></a>00629         <span class="keywordtype">int</span> fi=qi-qidiv*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>,fj=qj-qjdiv*<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>,fijk=fi+nx*(fj+<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>*(dk-ima*<a class="code" href="classvoro_1_1voro__base.html#aae461fbdf42c8975fb43d963d002298f">nz</a>)),fijk2;
<a name="l00630"></a>00630         <span class="keywordtype">double</span> disy=ima*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>+qjdiv*<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>,switchy=(dj-<a class="code" href="classvoro_1_1container__periodic__base.html#a407b759a2c2d6baec5183e18a726a4e6">ey</a>)*<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>-ima*<a class="code" href="classvoro_1_1unitcell.html#a434c1a7cd8ba84d4ad09845a1a0ddb5b">byz</a>-qjdiv*by;
<a name="l00631"></a>00631         <span class="keywordtype">double</span> disx=ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+qjdiv*bxy+qidiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>,switchx=di*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>-ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>-qjdiv*bxy-qidiv*<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00632"></a>00632         <span class="keywordtype">double</span> switchx2,disxl,disxr,disx2,disxr2;
<a name="l00633"></a>00633 
<a name="l00634"></a>00634         <span class="keywordflow">if</span>(di==0) {dijkl=dijk+nx-1;disxl=disx+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;}
<a name="l00635"></a>00635         <span class="keywordflow">else</span> {dijkl=dijk-1;disxl=disx;}
<a name="l00636"></a>00636 
<a name="l00637"></a>00637         <span class="keywordflow">if</span>(di==nx-1) {dijkr=dijk-nx+1;disxr=disx-<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;}
<a name="l00638"></a>00638         <span class="keywordflow">else</span> {dijkr=dijk+1;disxr=disx;}
<a name="l00639"></a>00639 
<a name="l00640"></a>00640         <span class="comment">// Down-left image computation</span>
<a name="l00641"></a>00641         <span class="keywordtype">bool</span> y_exist=dj!=0;
<a name="l00642"></a>00642         <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;1)==0) {
<a name="l00643"></a>00643                 <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl]|=2;
<a name="l00644"></a>00644                 <span class="keywordflow">if</span>(y_exist) {
<a name="l00645"></a>00645                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=8;
<a name="l00646"></a>00646                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=4;
<a name="l00647"></a>00647                 }
<a name="l00648"></a>00648                 <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {
<a name="l00649"></a>00649                         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {
<a name="l00650"></a>00650                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00651"></a>00651                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00652"></a>00652                         } <span class="keywordflow">else</span> {
<a name="l00653"></a>00653                                 <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;
<a name="l00654"></a>00654                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk-nx,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00655"></a>00655                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl-nx,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00656"></a>00656                         }
<a name="l00657"></a>00657                 }
<a name="l00658"></a>00658         }
<a name="l00659"></a>00659 
<a name="l00660"></a>00660         <span class="comment">// Down-right image computation</span>
<a name="l00661"></a>00661         <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;2)==0) {
<a name="l00662"></a>00662                 <span class="keywordflow">if</span>(fi==nx-1) {
<a name="l00663"></a>00663                         fijk2=fijk+1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchx2=switchx+(1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>)*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;disxr2=disxr+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00664"></a>00664                 } <span class="keywordflow">else</span> {
<a name="l00665"></a>00665                         fijk2=fijk+1;switchx2=switchx+<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx;disxr2=disxr;
<a name="l00666"></a>00666                 }
<a name="l00667"></a>00667                 <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr]|=1;
<a name="l00668"></a>00668                 <span class="keywordflow">if</span>(y_exist) {
<a name="l00669"></a>00669                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=4;
<a name="l00670"></a>00670                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=8;
<a name="l00671"></a>00671                 }
<a name="l00672"></a>00672                 <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk2];l++) {
<a name="l00673"></a>00673                         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {
<a name="l00674"></a>00674                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00675"></a>00675                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00676"></a>00676                         } <span class="keywordflow">else</span> {
<a name="l00677"></a>00677                                 <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;
<a name="l00678"></a>00678                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr-nx,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00679"></a>00679                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk-nx,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00680"></a>00680                         }
<a name="l00681"></a>00681                 }
<a name="l00682"></a>00682         }
<a name="l00683"></a>00683 
<a name="l00684"></a>00684         <span class="comment">// Recomputation of some intermediate quantities for boundary cases</span>
<a name="l00685"></a>00685         <span class="keywordflow">if</span>(fj==<a class="code" href="classvoro_1_1container__periodic__base.html#a012ffc20dd6379bcbd26ddc0c5cc8591">wy</a>-1) {
<a name="l00686"></a>00686                 fijk+=nx*(1-<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>)-fi;
<a name="l00687"></a>00687                 switchy+=(1-<a class="code" href="classvoro_1_1voro__base.html#a83da5297e87173733d92d9024cebbbdb">ny</a>)*<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>;
<a name="l00688"></a>00688                 disy+=<a class="code" href="classvoro_1_1unitcell.html#abaca9a0c853b9a53f164a2fbee783f83">by</a>;
<a name="l00689"></a>00689                 qi=di+<a class="code" href="classvoro_1_1voro__base.html#a37fd9fdedc5d415e55f3bbb22a786d8c">step_int</a>(-(ima*<a class="code" href="classvoro_1_1unitcell.html#a000adf05e666f0fb4f57dbe8ca5b51db">bxz</a>+(qjdiv+1)*bxy)*xsp);
<a name="l00690"></a>00690                 <span class="keywordtype">int</span> dqidiv=<a class="code" href="classvoro_1_1voro__base.html#a59a281a5e25e13f681c4f6a2c8bd1ca7">step_div</a>(qi,nx)-qidiv;qidiv+=dqidiv;
<a name="l00691"></a>00691                 fi=qi-qidiv*<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;
<a name="l00692"></a>00692                 fijk+=fi;
<a name="l00693"></a>00693                 disx+=bxy+bx*dqidiv;
<a name="l00694"></a>00694                 disxl+=bxy+bx*dqidiv;
<a name="l00695"></a>00695                 disxr+=bxy+bx*dqidiv;
<a name="l00696"></a>00696                 switchx-=bxy+bx*dqidiv;
<a name="l00697"></a>00697         } <span class="keywordflow">else</span> {
<a name="l00698"></a>00698                 fijk+=<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchy+=<a class="code" href="classvoro_1_1voro__base.html#a3ad6b0eefbdff03e92d30f5035defdd1">boxy</a>;
<a name="l00699"></a>00699         }
<a name="l00700"></a>00700 
<a name="l00701"></a>00701         <span class="comment">// Up-left image computation</span>
<a name="l00702"></a>00702         y_exist=dj!=<a class="code" href="classvoro_1_1container__periodic__base.html#aa143ce1ecd9093f7c1889a0481b4cbb5">oy</a>-1;
<a name="l00703"></a>00703         <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;4)==0) {
<a name="l00704"></a>00704                 <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl]|=8;
<a name="l00705"></a>00705                 <span class="keywordflow">if</span>(y_exist) {
<a name="l00706"></a>00706                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkl+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=2;
<a name="l00707"></a>00707                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=1;
<a name="l00708"></a>00708                 }
<a name="l00709"></a>00709                 <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk];l++) {
<a name="l00710"></a>00710                         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {
<a name="l00711"></a>00711                                 <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;
<a name="l00712"></a>00712                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk+nx,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00713"></a>00713                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl+nx,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00714"></a>00714                         } <span class="keywordflow">else</span> {
<a name="l00715"></a>00715                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk,l,disx,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00716"></a>00716                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkl,fijk,l,disxl,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00717"></a>00717                         }
<a name="l00718"></a>00718                 }
<a name="l00719"></a>00719         }
<a name="l00720"></a>00720 
<a name="l00721"></a>00721         <span class="comment">// Up-right image computation</span>
<a name="l00722"></a>00722         <span class="keywordflow">if</span>((<a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]&amp;8)==0) {
<a name="l00723"></a>00723                 <span class="keywordflow">if</span>(fi==nx-1) {
<a name="l00724"></a>00724                         fijk2=fijk+1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>;switchx2=switchx+(1-<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>)*<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;disxr2=disxr+<a class="code" href="classvoro_1_1unitcell.html#aba3ac9d30b539fb0017799555199c2df">bx</a>;
<a name="l00725"></a>00725                 } <span class="keywordflow">else</span> {
<a name="l00726"></a>00726                         fijk2=fijk+1;switchx2=switchx+<a class="code" href="classvoro_1_1voro__base.html#ac8986e621bd70cf5113e231cb8694d37">boxx</a>;disx2=disx;disxr2=disxr;
<a name="l00727"></a>00727                 }
<a name="l00728"></a>00728                 <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr]|=4;
<a name="l00729"></a>00729                 <span class="keywordflow">if</span>(y_exist) {
<a name="l00730"></a>00730                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijkr+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=1;
<a name="l00731"></a>00731                         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk+<a class="code" href="classvoro_1_1voro__base.html#a8aed82f1468c9bb7e2a779ea53a22594">nx</a>]|=2;
<a name="l00732"></a>00732                 }
<a name="l00733"></a>00733                 <span class="keywordflow">for</span>(l=0;l&lt;<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[fijk2];l++) {
<a name="l00734"></a>00734                         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l+1]&gt;switchy) {
<a name="l00735"></a>00735                                 <span class="keywordflow">if</span>(!y_exist) <span class="keywordflow">continue</span>;
<a name="l00736"></a>00736                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr+nx,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00737"></a>00737                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk+nx,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00738"></a>00738                         } <span class="keywordflow">else</span> {
<a name="l00739"></a>00739                                 <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk2][<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l]&gt;switchx2) <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijkr,fijk2,l,disxr2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00740"></a>00740                                 <span class="keywordflow">else</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">put_image</a>(dijk,fijk2,l,disx2,disy,<a class="code" href="classvoro_1_1unitcell.html#a30bf0a4a6bff808301aa424683eb0481">bz</a>*ima);
<a name="l00741"></a>00741                         }
<a name="l00742"></a>00742                 }
<a name="l00743"></a>00743         }
<a name="l00744"></a>00744 
<a name="l00745"></a>00745         <span class="comment">// All contributions to the block now added, so set all four bits of</span>
<a name="l00746"></a>00746         <span class="comment">// the image information</span>
<a name="l00747"></a>00747         <a class="code" href="classvoro_1_1container__periodic__base.html#a90658551a7621bedfea141f052443fe1">img</a>[dijk]=15;
<a name="l00748"></a>00748 }
<a name="l00749"></a>00749 <span class="comment"></span>
<a name="l00750"></a>00750 <span class="comment">/** Copies a particle position from the primary domain into an image block.</span>
<a name="l00751"></a>00751 <span class="comment"> * \param[in] reg the block index within the primary domain that the particle</span>
<a name="l00752"></a>00752 <span class="comment"> *                is within.</span>
<a name="l00753"></a>00753 <span class="comment"> * \param[in] fijk the index of the image block.</span>
<a name="l00754"></a>00754 <span class="comment"> * \param[in] l the index of the particle entry within the primary block.</span>
<a name="l00755"></a>00755 <span class="comment"> * \param[in] (dx,dy,dz) the displacement vector to add to the particle. */</span>
<a name="l00756"></a><a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">00756</a> <span class="keywordtype">void</span> <a class="code" href="classvoro_1_1container__periodic__base.html#a72efe37cb7876149cac5f5ead579b353">container_periodic_base::put_image</a>(<span class="keywordtype">int</span> reg,<span class="keywordtype">int</span> fijk,<span class="keywordtype">int</span> l,<span class="keywordtype">double</span> dx,<span class="keywordtype">double</span> dy,<span class="keywordtype">double</span> dz) {
<a name="l00757"></a>00757         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[reg]==<a class="code" href="classvoro_1_1container__periodic__base.html#a4ff4effc81e7b8908cda31f0c8c5ad70">mem</a>[reg]) <a class="code" href="classvoro_1_1container__periodic__base.html#add72546a646600a12ccda1be8041213a">add_particle_memory</a>(reg);
<a name="l00758"></a>00758         <span class="keywordtype">double</span> *p1=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[reg]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*<a class="code" href="classvoro_1_1container__periodic__base.html#a8ae965b9dbb02a92e8dcb0d082d625a2">co</a>[reg],*p2=<a class="code" href="classvoro_1_1container__periodic__base.html#a301925d00d1d79f3df7b965d02e25608">p</a>[fijk]+<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>*l;
<a name="l00759"></a>00759         *(p1++)=*(p2++)+dx;
<a name="l00760"></a>00760         *(p1++)=*(p2++)+dy;
<a name="l00761"></a>00761         *p1=*p2+dz;
<a name="l00762"></a>00762         <span class="keywordflow">if</span>(<a class="code" href="classvoro_1_1container__periodic__base.html#a5213538964cf869c9751a27bccaf323e">ps</a>==4) *(++p1)=*(++p2);
<a name="l00763"></a>00763         <span class="keywordtype">id</span>[reg][co[reg]++]=<span class="keywordtype">id</span>[fijk][l];
<a name="l00764"></a>00764 }
<a name="l00765"></a>00765 
<a name="l00766"></a>00766 }
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